Molecule ID: mol2601
SMILES: C1CC[N@]2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChI: InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.30 | Datawarrior | 1 » 0 |
| 11.30 | QSARToolbox | 1 » 0 |
| 12.00 | Jensen | 1 » 0 |